(4-bromophenyl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (4-bromophenyl)-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]methanone CAS Name: (4-bromophenyl)-[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (4-bromophenyl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (4-bromophenyl)-[3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]methanone Formula: C19H17BrN2OS MolecularWeight: 401.32008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H17BrN2OS/c1-12-4-10-17(11-5-12)24-18-13(2)21-22(14(18)3)19(23)15-6-8-16(20)9-7-15/h4-11H,1-3H3